Wikiomics:NMR Toolbox

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(Structure calculation)
Current revision (15:24, 17 January 2008) (view source)
(links fix/+ARIA etc)
 
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==Spectra processing==
==Spectra processing==
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* NMRpipe [http://spin.niddk.nih.gov/NMRPipe/]
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* [http://spin.niddk.nih.gov/NMRPipe/ NMRpipe]
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* Talos (part of NMRpipe) [http://spin.niddk.nih.gov/NMRPipe/talos/]
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* [http://spin.niddk.nih.gov/NMRPipe/talos/ Talos](part of NMRpipe)  
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* Dynamo (part of NMRpipe) [http://spin.niddk.nih.gov/NMRPipe/dynamo/]
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* [http://spin.niddk.nih.gov/NMRPipe/dynamo/ Dynamo](part of NMRpipe)
==Spectra diplay/Assignment==
==Spectra diplay/Assignment==
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* NMRViewJ [http://www.onemoonscientific.com/nmrview/]
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* [http://www.onemoonscientific.com/nmrview/ NMRViewJ]
==Structure calculation==
==Structure calculation==
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* xplor (molecular dynamics) [http://xplor.csb.yale.edu/xplor/]
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* [http://xplor.csb.yale.edu/xplor/ xplor](molecular dynamics)
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* CNS [http://cns.csb.yale.edu/]
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* [http://cns.csb.yale.edu/ CNS]
* dyana (distance restrains)
* dyana (distance restrains)
==Quality checking==
==Quality checking==
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* procheck [http://www.biochem.ucl.ac.uk/~roman/procheck_nmr/procheck_nmr.html]
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* [http://www.biochem.ucl.ac.uk/~roman/procheck_nmr/procheck_nmr.html procheck]
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* aqua [http://tang.bmrb.wisc.edu/~jurgen/aqua/]
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* [http://tang.bmrb.wisc.edu/~jurgen/aqua/ aqua]
==Model building==
==Model building==
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==Molecule display==
==Molecule display==
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* molmol [http://hugin.ethz.ch/wuthrich/software/molmol/]
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* [http://hugin.ethz.ch/wuthrich/software/molmol/ molmol]
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* grasp [http://wiki.c2b2.columbia.edu/honiglab_public/index.php/Software:GRASP]
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* [http://wiki.c2b2.columbia.edu/honiglab_public/index.php/Software:GRASP grasp]
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* molscript [http://www.avatar.se/molscript/]
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* [http://www.avatar.se/molscript/ molscript]
* povray
* povray
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* pymol [http://pymol.sourceforge.net/]
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* [http://pymol.sourceforge.net/ pymol]
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* rasmol [http://www.umass.edu/microbio/rasmol/]
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* [http://www.umass.edu/microbio/rasmol/ rasmol]
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* raster3D [http://skuld.bmsc.washington.edu/raster3d/]
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* [http://skuld.bmsc.washington.edu/raster3d/ raster3D]
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* DeepView (SWISS-PDBViewer)[http://www.expasy.org/spdbv/]
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* [http://www.expasy.org/spdbv/ DeepView](SWISS-PDBViewer)
See also: [http://directory.google.com/Top/Science/Chemistry/Software/Structural/Visualization/]
See also: [http://directory.google.com/Top/Science/Chemistry/Software/Structural/Visualization/]
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=2B clasified=
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* [http://aria.pasteur.fr/documentation/generalities/general-features-of-aria ARIA]
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* [http://www.ccpn.ac.uk/ CCPN]  Collaborative Computing Project for NMR
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=External web sites with NMR software links=
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(bit dated as well)
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* http://www.spincore.com/nmrinfo/software_s.html
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* http://nmr.ioc.ac.ru/li_links.htm
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== Credits ==
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{{credits}}
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* [[User:Darked|Darek Kedra]] wrote this tutorial
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<!-- other contributors, put yourself here -->

Current revision

NMR Toolbox

Contents

Spectra processing

Spectra diplay/Assignment

Structure calculation

  • xplor(molecular dynamics)
  • CNS
  • dyana (distance restrains)

Quality checking

Model building

  • modeller (template based/threading) [1]

Molecule display

See also: [2]

2B clasified

  • ARIA
  • CCPN Collaborative Computing Project for NMR

External web sites with NMR software links

(bit dated as well)

Credits

Template:Credits

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